4MJL
Crystal Structure of myo-inositol dehydrogenase from Lactobacillus casei in complex with NAD and D-chiro-inositol
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0019310 | biological_process | inositol catabolic process |
| A | 0050112 | molecular_function | inositol 2-dehydrogenase (NAD+) activity |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0019310 | biological_process | inositol catabolic process |
| B | 0050112 | molecular_function | inositol 2-dehydrogenase (NAD+) activity |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0019310 | biological_process | inositol catabolic process |
| C | 0050112 | molecular_function | inositol 2-dehydrogenase (NAD+) activity |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0019310 | biological_process | inositol catabolic process |
| D | 0050112 | molecular_function | inositol 2-dehydrogenase (NAD+) activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE NAD A 401 |
| Chain | Residue |
| A | GLY9 |
| A | GLY76 |
| A | HIS79 |
| A | GLU96 |
| A | LYS97 |
| A | GLY124 |
| A | HIS176 |
| A | TYR282 |
| A | HOH532 |
| A | HOH620 |
| A | HOH637 |
| A | GLY11 |
| A | ALA12 |
| A | MET13 |
| A | ASP35 |
| A | ILE36 |
| A | VAL73 |
| A | SER74 |
| A | PHE75 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 402 |
| Chain | Residue |
| A | ILE259 |
| A | GLN266 |
| A | GLN267 |
| A | THR268 |
| B | GLN266 |
| B | GLN267 |
| B | THR268 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 403 |
| Chain | Residue |
| A | ARG152 |
| A | GLU241 |
| C | ARG152 |
| C | ALA153 |
| C | SER154 |
| C | LYS239 |
| C | LEU240 |
| C | GLU241 |
| C | GOL404 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 404 |
| Chain | Residue |
| A | THR26 |
| A | GLY27 |
| A | HOH664 |
| A | HOH685 |
| D | THR26 |
| D | GLY27 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 405 |
| Chain | Residue |
| A | ARG198 |
| A | HOH636 |
| A | HOH690 |
| C | ALA147 |
| C | PRO148 |
| C | LYS220 |
| C | HOH576 |
| site_id | AC6 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE NAD B 401 |
| Chain | Residue |
| B | GLY9 |
| B | GLY11 |
| B | ALA12 |
| B | MET13 |
| B | ASP35 |
| B | ILE36 |
| B | VAL73 |
| B | SER74 |
| B | PHE75 |
| B | GLY76 |
| B | ALA78 |
| B | HIS79 |
| B | GLU96 |
| B | LYS97 |
| B | GLY124 |
| B | MET126 |
| B | HIS176 |
| B | TYR282 |
| B | HOH543 |
| B | HOH553 |
| B | HOH605 |
| B | HOH632 |
| B | HOH665 |
| B | HOH679 |
| B | HOH725 |
| B | HOH730 |
| B | HOH757 |
| B | HOH770 |
| C | HOH660 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 402 |
| Chain | Residue |
| A | LYS295 |
| A | HOH515 |
| B | LEU140 |
| B | ASP141 |
| B | GLY146 |
| B | ALA147 |
| B | PRO148 |
| B | HOH638 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 403 |
| Chain | Residue |
| B | ARG198 |
| B | HOH588 |
| B | HOH760 |
| D | PRO148 |
| D | LYS220 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 404 |
| Chain | Residue |
| B | HOH736 |
| B | HOH759 |
| C | PHE75 |
| C | GLY76 |
| C | GLY77 |
| site_id | BC1 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE NAD C 401 |
| Chain | Residue |
| C | ILE36 |
| C | VAL73 |
| C | SER74 |
| C | PHE75 |
| C | GLY76 |
| C | HIS79 |
| C | GLU96 |
| C | LYS97 |
| C | GLY124 |
| C | HIS176 |
| C | TYR282 |
| C | HOH504 |
| C | HOH595 |
| C | HOH611 |
| C | HOH633 |
| C | HOH659 |
| C | HOH691 |
| C | HOH695 |
| C | HOH716 |
| C | HOH779 |
| C | GLY11 |
| C | ALA12 |
| C | MET13 |
| C | ASP35 |
| site_id | BC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL C 402 |
| Chain | Residue |
| C | ILE259 |
| C | GLN266 |
| C | GLN267 |
| C | THR268 |
| C | HOH704 |
| D | GLN266 |
| D | GLN267 |
| D | THR268 |
| site_id | BC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL C 403 |
| Chain | Residue |
| C | VAL24 |
| C | LEU25 |
| C | HOH579 |
| C | HOH606 |
| C | HOH785 |
| site_id | BC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL C 404 |
| Chain | Residue |
| A | ARG152 |
| A | ALA153 |
| A | SER154 |
| A | GLU241 |
| A | GOL403 |
| C | ARG152 |
| C | GLU241 |
| C | HOH625 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 C 405 |
| Chain | Residue |
| A | ALA147 |
| A | PRO148 |
| A | LYS220 |
| C | ARG198 |
| C | HOH668 |
| C | HOH729 |
| site_id | BC6 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR RESIDUE NAD D 401 |
| Chain | Residue |
| D | GLY11 |
| D | ALA12 |
| D | MET13 |
| D | ASP35 |
| D | ILE36 |
| D | VAL73 |
| D | SER74 |
| D | PHE75 |
| D | ALA78 |
| D | HIS79 |
| D | GLU96 |
| D | LYS97 |
| D | MET126 |
| D | ASP172 |
| D | HIS176 |
| D | TRP274 |
| D | TYR282 |
| D | CBU402 |
| D | HOH504 |
| D | HOH537 |
| D | HOH548 |
| D | HOH586 |
| D | HOH607 |
| D | HOH663 |
| D | HOH664 |
| D | HOH678 |
| D | HOH682 |
| D | HOH683 |
| D | HOH696 |
| D | HOH778 |
| D | HOH785 |
| site_id | BC7 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE CBU D 402 |
| Chain | Residue |
| D | LYS97 |
| D | HIS155 |
| D | ASN157 |
| D | ASP172 |
| D | THR173 |
| D | HIS176 |
| D | TYR236 |
| D | NAD401 |
| D | HOH526 |
| D | HOH607 |
| D | HOH610 |
| site_id | BC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL D 403 |
| Chain | Residue |
| D | LEU62 |
| D | GLN63 |
| D | ASP64 |
| D | THR89 |
| D | ASP90 |
| D | LYS91 |
| site_id | BC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL D 404 |
| Chain | Residue |
| D | TYR129 |
| D | ARG134 |
| D | GLU288 |
| D | SO4405 |
| D | HOH674 |
| D | HOH828 |
| site_id | CC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 D 405 |
| Chain | Residue |
| D | ARG134 |
| D | TRP183 |
| D | GOL404 |
